5-chloranyl-1-(phenylmethyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzyl-5-chloro-benzimidazole CAS Name: 5-chloro-1-(phenylmethyl)-2-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 2-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzyl-5-chloro-benzimidazole Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C=CCN1C=NN=C1SCC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClN5S/c1-2-10-25-14-22-24-20(25)27-13-19-23-17-11-16(21)8-9-18(17)26(19)12-15-6-4-3-5-7-15/h2-9,11,14H,1,10,12-13H2